4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine

C15H19F2NO — CID 129387347

IUPAC4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine
SMILESFC1(F)C[C@H]1COc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-13(15)10-19-14-3-1-11(2-4-14)12-5-7-18-8-6-12/h1-4,12-13,18H,5-10H2/t13-/m0/s1
InChIKeyJDRUYYYPOSUKFE-ZDUSSCGKSA-N
MW267.32 g/mol
LogP3.19
Rot. Bonds4

About 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine

4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine (PubChem CID 129387347) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine
PubChem CID129387347
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine
SMILESFC1(F)C[C@H]1COc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-13(15)10-19-14-3-1-11(2-4-14)12-5-7-18-8-6-12/h1-4,12-13,18H,5-10H2/t13-/m0/s1
InChIKeyJDRUYYYPOSUKFE-ZDUSSCGKSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)piperidine
CID 21495191
2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
CID 67598806
4-(4-octoxyphenyl)piperidine
CID 90176821
4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine
CID 117274189
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
1-[(2,2-difluorocyclopropyl)methoxy]-4-nitrobenzene
CID 67453576
trimethyl-(4-piperidin-4-ylphenoxy)silane
CID 167737433
ethane;4-(4-methylphenyl)piperidine
CID 145467036
4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine
CID 70333215

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine?
The IUPAC name of 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine (CID 129387347) is 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine is FC1(F)C[C@H]1COc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine?
The InChIKey is JDRUYYYPOSUKFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-15(17)9-13(15)10-19-14-3-1-11(2-4-14)12-5-7-18-8-6-12/h1-4,12-13,18H,5-10H2/t13-/m0/s1.
What are the key properties of 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine?
4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine has a molecular weight of 267.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine is sourced from PubChem (CID 129387347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).